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SMILES: c1(c(c2c([nH]1)cccc2)I)C#N Canonical SMILES: N#Cc1[nH]c2c(c1I)cccc2 InChI: InChI=1S/C9H5IN2/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-4,12H InChIKey: LZEVAWNETZNAGR-UHFFFAOYSA-N
CBID:66045 http://www.chembase.cn/molecule-66045.html